3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
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![3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/13fd2f41324b43cab1683a8fda69b209.png "3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid")
3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
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CAS No:
96744-62-6
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Formula:
C24H30O5
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Chemical Name:
3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
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Synonyms:
CH 18 783; Benzoic acid,3-((hexahydro-5-hydroxy-4-(3-hydroxy-1-monynyl)-2H-cyclopenta(b)furan-2-ylidene)methyl)-,(3aR-(2Z,3aalpha,4alpha(S*),5beta,6aalpha)); IFPG; 20-Methyl-13,14-didehydro-2,4-m-interphenylene-pgi2; 20-Methyl-13,14-didehydro-2,4-inter-3-phenylene prostaglandin I2;
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CAS No:
3-[(E)-[5-hydroxy-4-(3-hydroxynon-1-ynyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid Basic Attributes
398.49200
398.20932405
Computed Properties
Molecular Weight:398.5
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:398.20932405
Monoisotopic Mass:398.20932405
Topological Polar Surface Area:87
Heavy Atom Count:29
Complexity:657
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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